CID 199249

Butylguanidine monohydrochloride

Structural Information

Molecular Formula
C5H13N3
SMILES
CCCCN=C(N)N
InChI
InChI=1S/C5H13N3/c1-2-3-4-8-5(6)7/h2-4H2,1H3,(H4,6,7,8)
InChIKey
CGWBIHLHAGNJCX-UHFFFAOYSA-N
Compound name
2-butylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

2746
Patents

115.11095 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.118226 125.4
[M+Na]+ 138.100168 131.0
[M-H]- 114.103674 126.2
[M+NH4]+ 133.144773 147.3
[M+K]+ 154.074108 131.0
[M+H-H2O]+ 98.108210 119.7
[M+HCOO]- 160.109151 151.9
[M+CH3COO]- 174.124801 179.3
[M+Na-2H]- 136.085616 130.7
[M]+ 115.11040142 122.2
[M]- 115.11149858 122.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe